ethyl 2-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)C#N)C

InChI

InChI=1S/C21H23N3O3S2/c1-4-15-12(3)9-13(10-22)19(23-15)28-11-17(25)24-20-18(21(26)27-5-2)14-7-6-8-16(14)29-20/h9H,4-8,11H2,1-3H3,(H,24,25)